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Aminopterin hydrate
SpectraBase Compound ID Ec1Z1UHncgd
InChI InChI=1S/C19H20N8O5.O/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);/t12-;/m0./s1
InChIKey DNYCJYIPAAQHAO-YDALLXLXSA-N
Mol Weight 456.42 g/mol
Molecular Formula C19H20N8O6
Exact Mass 456.15058 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DTm0l7nIZ0m
Name Aminopterin hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 862274
CAS Registry Number 54-62-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N8O6
InChI InChI=1S/C19H20N8O5.O/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);/t12-;/m0./s1
InChIKey DNYCJYIPAAQHAO-YDALLXLXSA-N
Observed nucleus 1H
Purity 97%
Solvent D2O & NaOD
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Aminofolic acid 4-Amino-PGA Aminopterine
Wiley ID SIAL_1HNMR_010508